8F3M
Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant with S466 insertion apo form from Enterococcus faecium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 192.841, 192.841, 156.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.310 - 2.810 |
R-factor | 0.1682 |
Rwork | 0.166 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.006 |
RMSD bond angle | 0.806 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.310 | 2.910 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.138 | 0.679 |
Rmeas | 0.145 | 0.754 |
Rpim | 0.037 | 0.263 |
Total number of observations | 936163 | 100888 |
Number of reflections | 40554 | 4495 |
<I/σ(I)> | 23.6 | 4.5 |
Completeness [%] | 95.5 | |
Redundancy | 23.1 | 22.4 |
CC(1/2) | 0.925 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M citric acid pH 5.0, 3.0 M ammonium sulfate |